4-(fluoromethoxy)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine

C6H6F4N4O2 — CID 90277606

IUPAC4-(fluoromethoxy)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
SMILESNc1nc(OCF)nc(OCC(F)(F)F)n1
InChIInChI=1S/C6H6F4N4O2/c7-2-16-5-13-3(11)12-4(14-5)15-1-6(8,9)10/h1-2H2,(H2,11,12,13,14)
InChIKeyKZEGHRPDQDFXLC-UHFFFAOYSA-N
MW242.13 g/mol
LogP0.70
Rot. Bonds4

About 4-(fluoromethoxy)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine

4-(fluoromethoxy)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine (PubChem CID 90277606) has the molecular formula C6H6F4N4O2 and a molecular weight of 242.13 g/mol. Its IUPAC name is 4-(fluoromethoxy)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(fluoromethoxy)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
PubChem CID90277606
Molecular FormulaC6H6F4N4O2
Molecular Weight242.13 g/mol
Exact Mass242.04
IUPAC Name4-(fluoromethoxy)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
SMILESNc1nc(OCF)nc(OCC(F)(F)F)n1
InChIInChI=1S/C6H6F4N4O2/c7-2-16-5-13-3(11)12-4(14-5)15-1-6(8,9)10/h1-2H2,(H2,11,12,13,14)
InChIKeyKZEGHRPDQDFXLC-UHFFFAOYSA-N
XLogP0.70
TPSA83.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.13
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,3,5-Triazine-2,4-diamine, N2,N2-dimethyl-6-(2,2,2-trifluoroethoxy)-
CID 10933513
6-(2,2,2-Trifluoroethoxy)-1,3,5-triazine-2,4-diamine
CID 139595246
4,6-Bis[2,2,2-trifluoro-1-(trifluoromethyl)ethoxy]-1,3,5-triazin-2-amine
CID 550572
4,6-Bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 1375552
2,4,6-Tris(2,2,2-trifluoroethoxy)-1,3,5-triazine
CID 3091708
N-methyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 1375553
2-Chloro-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazine
CID 53342808
N-[4,6-Bis-(2,2,2-trifluoro-1-trifluoromethylethoxy)-[1,3,5]triazin-2-yl]hydroxylamine
CID 5086209
2,4,6-Tris(2,2,3,3,3-pentafluoropropoxy)-1,3,5-triazine
CID 12586979
1,3,5-Triazin-2-amine, 4-methoxy-6-(2,2,2-trifluoroethoxy)-
CID 180958
2-Amino-4-methoxy-6-trifluoromethoxy-1,3,5-triazine
CID 15010393
2-Amino-4-ethoxy-6-trifluoromethoxy-1,3,5-triazine
CID 15010395

Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethoxy)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
The IUPAC name of 4-(fluoromethoxy)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine (CID 90277606) is 4-(fluoromethoxy)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(fluoromethoxy)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(fluoromethoxy)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine is Nc1nc(OCF)nc(OCC(F)(F)F)n1.
What is the InChIKey of 4-(fluoromethoxy)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
The InChIKey is KZEGHRPDQDFXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F4N4O2/c7-2-16-5-13-3(11)12-4(14-5)15-1-6(8,9)10/h1-2H2,(H2,11,12,13,14).
What are the key properties of 4-(fluoromethoxy)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
4-(fluoromethoxy)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine has a molecular weight of 242.13 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethoxy)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 90277606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).